Crystallography Open Database

Information card for entry 8106970

Preview

Coordinates	8106970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cd Cu N8 O5
Calculated formula	C22 H20 Cd Cu N8 O5
SMILES	[Cd]12([O](C)c3c4[O]1[Cu]15[O]2c2c(OC)cccc2C=[N]5CC[N]1=Cc4ccc3)([OH2])(N=C=NC#N)N=C=NC#N
Title of publication	Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
Authors of publication	Liu, Yuhai; Li, Weihua; Lu, Hui; Sun, Jianhua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	665 - 667
a	9.6729 ± 0.0007 Å
b	18.9327 ± 0.0013 Å
c	15.0121 ± 0.0008 Å
α	90°
β	118.323 ± 0.003°
γ	90°
Cell volume	2420.1 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282021 (current)	2023-03-23	cif/ Adding structures of 8106970 via cif-deposit CGI script.	8106970.cif